6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C158H153ClN30O12S2 — CID 157285762

About 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157285762) has the molecular formula C158H153ClN30O12S2 and a molecular weight of 2763.75 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157285762
• Molecular Formula: C158H153ClN30O12S2
• Molecular Weight: 2763.75 g/mol
• Exact Mass: 2761.14
• IUPAC Name: 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2CSc3ccccc3C2=O)c1=O.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O)C1CCOCC1.C=C1C=Cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2N1C1Cc2ccccc2N(C)C1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(C3Cc4ccccc4C(=O)N3C)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2CSc3ccccc3C2)c1=O
• InChI: InChI=1S/C34H32ClN7O2.C34H37N7O3.C34H33N5O2S.C28H28N6O2.C28H23N5O3S/c1-20-7-12-27(29(35)15-20)28-16-22-18-37-34(39-24-10-8-23(9-11-24)38-25-13-14-36-19-25)40-31(22)42(33(28)44)30-17-21-5-3-4-6-26(21)32(43)41(30)2;1-22(23-11-17-44-18-12-23)28-19-24-20-36-34(37-25-7-9-26(10-8-25)40-15-13-35-14-16-40)38-32(24)41(33(28)43)30-21-39(2)29-6-4-3-5-27(29)31(30)42;1-22-7-2-4-10-29(22)41-30-18-26-20-36-34(37-27-14-12-23(13-15-27)25-9-6-16-35-19-25)38-32(26)39(33(30)40)28-17-24-8-3-5-11-31(24)42-21-28;1-18-7-8-20-16-30-28(31-21-9-11-22(12-10-21)36-23-13-14-29-17-23)32-26(20)34(18)25-15-19-5-3-4-6-24(19)33(2)27(25)35;1-2-17-13-19-14-30-28(31-20-9-7-18(8-10-20)23-15-29-11-12-36-23)32-26(19)33(27(17)35)22-16-37-24-6-4-3-5-21(24)25(22)34/h3-12,15-16,18,25,30,36,38H,13-14,17,19H2,1-2H3,(H,37,39,40);3-10,19-20,23,30,35H,1,11-18,21H2,2H3,(H,36,37,38);2-5,7-8,10-15,18,20,25,28,35H,6,9,16-17,19,21H2,1H3,(H,36,37,38);3-12,16,23,25,29H,1,13-15,17H2,2H3,(H,30,31,32);1,3-10,13-14,22-23,29H,11-12,15-16H2,(H,30,31,32)
• InChIKey: BAFDRBFKXYNAKY-UHFFFAOYSA-N
• XLogP: 24.62
• TPSA: 470.63 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2763.75
LogP ≤ 5	24.62
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 157285762) is 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2CSc3ccccc3C2=O)c1=O.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O)C1CCOCC1.C=C1C=Cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2N1C1Cc2ccccc2N(C)C1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(C3Cc4ccccc4C(=O)N3C)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2CSc3ccccc3C2)c1=O.

What is the InChIKey of 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BAFDRBFKXYNAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClN7O2.C34H37N7O3.C34H33N5O2S.C28H28N6O2.C28H23N5O3S/c1-20-7-12-27(29(35)15-20)28-16-22-18-37-34(39-24-10-8-23(9-11-24)38-25-13-14-36-19-25)40-31(22)42(33(28)44)30-17-21-5-3-4-6-26(21)32(43)41(30)2;1-22(23-11-17-44-18-12-23)28-19-24-20-36-34(37-25-7-9-26(10-8-25)40-15-13-35-14-16-40)38-32(24)41(33(28)43)30-21-39(2)29-6-4-3-5-27(29)31(30)42;1-22-7-2-4-10-29(22)41-30-18-26-20-36-34(37-27-14-12-23(13-15-27)25-9-6-16-35-19-25)38-32(26)39(33(30)40)28-17-24-8-3-5-11-31(24)42-21-28;1-18-7-8-20-16-30-28(31-21-9-11-22(12-10-21)36-23-13-14-29-17-23)32-26(20)34(18)25-15-19-5-3-4-6-24(19)33(2)27(25)35;1-2-17-13-19-14-30-28(31-20-9-7-18(8-10-20)23-15-29-11-12-36-23)32-26(19)33(27(17)35)22-16-37-24-6-4-3-5-21(24)25(22)34/h3-12,15-16,18,25,30,36,38H,13-14,17,19H2,1-2H3,(H,37,39,40);3-10,19-20,23,30,35H,1,11-18,21H2,2H3,(H,36,37,38);2-5,7-8,10-15,18,20,25,28,35H,6,9,16-17,19,21H2,1H3,(H,36,37,38);3-12,16,23,25,29H,1,13-15,17H2,2H3,(H,30,31,32);1,3-10,13-14,22-23,29H,11-12,15-16H2,(H,30,31,32).

What are the key properties of 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2763.75 g/mol, XLogP of 24.62, 27 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-methylphenyl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(4-morpholin-2-ylanilino)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one;1-methyl-3-[7-methylidene-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]-3,4-dihydroquinolin-2-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157285762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).